{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [16.233181098, 0.0, 0.0, 0.0, 8.87406137, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505815674024, "energy": -87.48147453, "forces": {"__ndarray__": [[24, 3], "float64", [0.003456, 0.004218, 0.0, -0.003456, 0.004218, 0.0, 0.003456, 0.004218, 0.0, -0.003456, 0.004218, 0.0, -0.001573, -0.006007, -0.0, 0.001573, -0.006007, -0.0, -0.001573, -0.006007, -0.0, 0.001573, -0.006007, -0.0, 0.003562, 0.00356, 0.0, -0.003562, 0.00356, 0.0, 0.003562, 0.00356, 0.0, -0.003562, 0.00356, 0.0, 0.00094, 3.1e-05, -0.0, -0.00094, 3.1e-05, -0.0, 0.00094, 3.1e-05, -0.0, -0.00094, 3.1e-05, -0.0, 0.00236, -0.001853, -0.0, -0.00236, -0.001853, -0.0, 0.00236, -0.001853, 0.0, -0.00236, -0.001853, 0.0, -0.002498, 5e-05, 0.0, 0.002498, 5e-05, 0.0, -0.002498, 5e-05, 0.0, 0.002498, 5e-05, 0.0]]}, "free_energy": -87.58874327, "key_value_pairs": {"E": 0.2950672279166667, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143516934913706, "numbers": {"__ndarray__": [[24], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[24, 3], "float64", [16.06877, 0.18987, 10.0, 0.16441, 4.6269, 10.0, 7.95218, 0.18987, 10.0, 8.281, 4.6269, 10.0, 2.97645, 0.19444, 10.0, 13.25673, 4.63147, 10.0, 11.09304, 0.19444, 10.0, 5.14014, 4.63147, 10.0, 12.17389, 2.40963, 10.0, 4.05929, 6.84666, 10.0, 4.0573, 2.40963, 10.0, 12.17588, 6.84666, 10.0, 14.90401, 2.77746, 10.0, 1.32917, 7.21449, 10.0, 6.78742, 2.77746, 10.0, 9.44576, 7.21449, 10.0, 1.32163, 2.04506, 10.0, 14.91155, 6.48209, 10.0, 9.43822, 2.04506, 10.0, 6.79496, 6.48209, 10.0, 5.61152, 0.18986, 10.0, 10.62166, 4.62689, 10.0, 13.72811, 0.18986, 10.0, 2.50507, 4.62689, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [5.055622391965439e-07, -1.1303373026974581e-05, 0.0005438663807020895, -0.0, -0.0, -0.0]]}, "unique_id": "c34e0739d30489d83fe06ba265ad2e48", "user": "yangxb"}, "ids": [1], "nextid": 2}